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Ingredients

Toddaline

C21H18NO4+

Entity Type
Ingredients
Relation Groups
2
Relation Preview
16

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
Toddaline
Molecular Formula
C21H18NO4+
Molecular Weight
No data
Canonical SMILES
C[N+]1=C2C(=C3C=CC(=C(C3=C1)OC)OC)C=CC4=CC5=C(C=C42)OCO5
Isomeric SMILES
C[N+]1=C2C(=C3C=CC(=C(C3=C1)OC)OC)C=CC4=CC5=C(C=C42)OCO5
InChI
InChI=1S/C21H18NO4/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22/h4-10H,11H2,1-3H3/q+1
Oral Bioavailability
25.990
Drug Likeness
0.409
DL Score
No data
Caco-2 Permeability
No data
ALogP
No data
Bioavailability Score
No data

Identifiers

InChI Key
No data
PubChem CID
No data

Description and Extensions

Toxicity Information
No data
Related

Direct relations and traceable candidates grouped by relation type.

Active Targets

ingredient target8 Targets
01
ABL1
ABL proto-oncogene 1, non-receptor tyrosine kinase
ABL proto-oncogene 1, non-receptor tyrosine kinase
02
ABL2
ABL proto-oncogene 2, non-receptor tyrosine kinase
ABL proto-oncogene 2, non-receptor tyrosine kinase
03
ACHE
acetylcholinesterase (Cartwright blood group)
acetylcholinesterase (Cartwright blood group)
05
AKR1B1
aldo-keto reductase family 1 member B
aldo-keto reductase family 1 member B